Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LI0OF7
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| Ligand Name |
(2~{s})-2-[[4-[4-Azanyl-5-(4-Phenoxyphenyl)pyrrolo[2,3-D]pyrimidin-7-Yl]cyclohexyl]azaniumyl]-4-Methyl-Pentanoate
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| Synonyms |
CHEMBL4093003; CHEMBL4208669; (2~{s})-2-[[4-[4-Azanyl-5-(4-Phenoxyphenyl)pyrrolo[2,3-D]pyrimidin-7-Yl]cyclohexyl]azaniumyl]-4-Methyl-Pentanoate; BDBM50268912; BDBM50451473; RK-21060; J3.509.386I; OOQ
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| Structure |
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Download2D MOL |
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| Formula |
C30H35N5O3
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| Canonical SMILES |
CC(C)CC(C(=O)O)NC1CCC(CC1)N2C=C(C3=C(N=CN=C32)N)C4=CC=C(C=C4)OC5=CC=CC=C5
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| InChI |
1S/C30H35N5O3/c1-19(2)16-26(30(36)37)34-21-10-12-22(13-11-21)35-17-25(27-28(31)32-18-33-29(27)35)20-8-14-24(15-9-20)38-23-6-4-3-5-7-23/h3-9,14-15,17-19,21-22,26,34H,10-13,16H2,1-2H3,(H,36,37)(H2,31,32,33)/t21?,22?,26-/m0/s1
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| InChIKey |
KUUPATHXUAIQFZ-LUFKIMSYSA-N
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| PubChem Compound ID | ||||
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